| SpectraBase Spectrum ID |
8KC7GQ2FwDA |
| Name |
Sildenafil |
| CAS Registry Number |
139755-83-2 |
| Classification |
Pharmaceutical drug, vasodilator |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
474.204924640 u |
| Formula |
C22H30N6O4S |
| InChI |
InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) |
| InChIKey |
BNRNXUUZRGQAQC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
474.580 g/mol |
| Nominal Mass |
474 u |
| Quality |
988 |
| Retention Index |
3891 |
| SMILES |
C12=C(N=C(C=3C(=CC=C(S(N4CCN(CC4)C)(=O)=O)C3)OCC)NC1=O)C(=NN2C)CCC |
| SPLASH |
splash10-0002-9100100000-25e2ff674a802db7f0f9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Viagra
3-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-7-methyl-9-propyl-\r2,4,7,8-tetrazabicyclo[4.3.0]nona-2,4,8,10-tetraen-5-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032302 |
